Resuming IBRION=6

[takaya_fujisaki]

Hi

I actually tried to get force constant with IBRION = 6.
Starting calculation works nice, however, process was terminated by time regulation of sever.
Is it possible to resume the calculation? Because of rule of super computer, I can only run the culculation for 96 hours at maximum.

I would appreciate any your advice and comment.
Just in case, I uploaded INCAR, KPOINT and log files as zip file

INCAR.zip

.
If I reduce K-point numbers, the force constant was not converged well.

Sincerely

[fabien_tran1]

Hi,

There is unfortunately no restart option for IBRION=5 and 6. As suggested here
forum/viewtopic.php?f=4&t=17924
forum/viewtopic.php?f=4&t=18263
an alternative would be to use Phonopy.